이름: α-methyl-ρ-phenethylbenzylamine
SMILES:
CC(N=C1CCCCCN1)c1ccc(CCc2ccccc2)cc1.ClMolecular Processing
Molecular formula
C22H29ClN2
Molecular weight
356.94
Exact mass
356.2019
XLogP
5.52
TPSA
24.39
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
109.86
Supplementary Information
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